N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-2,2-dimethylcyclopentane-1-carboxamide

C17H21ClN2O — CID 107181414

IUPACN-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)Nc1cc(C#CCN)ccc1Cl
InChIInChI=1S/C17H21ClN2O/c1-17(2)9-3-6-13(17)16(21)20-15-11-12(5-4-10-19)7-8-14(15)18/h7-8,11,13H,3,6,9-10,19H2,1-2H3,(H,20,21)
InChIKeyHZDUGUDZYWXAKP-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.41
Rot. Bonds2

About N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-2,2-dimethylcyclopentane-1-carboxamide

N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107181414) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107181414
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)Nc1cc(C#CCN)ccc1Cl
InChIInChI=1S/C17H21ClN2O/c1-17(2)9-3-6-13(17)16(21)20-15-11-12(5-4-10-19)7-8-14(15)18/h7-8,11,13H,3,6,9-10,19H2,1-2H3,(H,20,21)
InChIKeyHZDUGUDZYWXAKP-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181388
N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181426
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]cyclopentanecarboxamide
CID 62910082
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002397
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002367
1-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-3-cyclohexylurea
CID 62908041
4-chloro-3-[(2,2-dimethylcyclohexanecarbonyl)amino]benzoic acid
CID 107175125
methyl N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]carbamate
CID 62907703
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002393
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrrolidine-1-carboxamide
CID 79161052
N-(2-amino-4-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174932
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 62908038

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-2,2-dimethylcyclopentane-1-carboxamide (CID 107181414) is N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-2,2-dimethylcyclopentane-1-carboxamide is CC1(C)CCCC1C(=O)Nc1cc(C#CCN)ccc1Cl.
What is the InChIKey of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is HZDUGUDZYWXAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-17(2)9-3-6-13(17)16(21)20-15-11-12(5-4-10-19)7-8-14(15)18/h7-8,11,13H,3,6,9-10,19H2,1-2H3,(H,20,21).
What are the key properties of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-2,2-dimethylcyclopentane-1-carboxamide?
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 304.82 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107181414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).